4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile

C13H9Cl2N3 — CID 65469773

IUPAC4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C13H9Cl2N3/c14-11-2-1-3-12(15)13(11)18-8-9-4-5-17-10(6-9)7-16/h1-6,18H,8H2
InChIKeyUOZWZMMFRGYIPT-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.87
Rot. Bonds3

About 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile

4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile (PubChem CID 65469773) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
PubChem CID65469773
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C13H9Cl2N3/c14-11-2-1-3-12(15)13(11)18-8-9-4-5-17-10(6-9)7-16/h1-6,18H,8H2
InChIKeyUOZWZMMFRGYIPT-UHFFFAOYSA-N
XLogP3.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
CID 107644287
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
CID 82818817
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 112613526
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile (CID 65469773) is 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNc2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is UOZWZMMFRGYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-11-2-1-3-12(15)13(11)18-8-9-4-5-17-10(6-9)7-16/h1-6,18H,8H2.
What are the key properties of 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile?
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 278.14 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 65469773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).